7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C22H17FN4O3S — CID 137429793

IUPAC7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C22H17FN4O3S/c23-14-5-3-4-13(10-14)17-11-27(8-9-30-17)22(29)15-12-31-19-18(15)25-20(26-21(19)28)16-6-1-2-7-24-16/h1-7,10,12,17H,8-9,11H2,(H,25,26,28)
InChIKeyMOACNGCTYIZLNH-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.40
Rot. Bonds3

About 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429793) has the molecular formula C22H17FN4O3S and a molecular weight of 436.47 g/mol. Its IUPAC name is 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429793
Molecular FormulaC22H17FN4O3S
Molecular Weight436.47 g/mol
Exact Mass436.10
IUPAC Name7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(c2cccc(F)c2)C1
InChIInChI=1S/C22H17FN4O3S/c23-14-5-3-4-13(10-14)17-11-27(8-9-30-17)22(29)15-12-31-19-18(15)25-20(26-21(19)28)16-6-1-2-7-24-16/h1-7,10,12,17H,8-9,11H2,(H,25,26,28)
InChIKeyMOACNGCTYIZLNH-UHFFFAOYSA-N
XLogP3.40
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429793) is 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(c2cccc(F)c2)C1.
What is the InChIKey of 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MOACNGCTYIZLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S/c23-14-5-3-4-13(10-14)17-11-27(8-9-30-17)22(29)15-12-31-19-18(15)25-20(26-21(19)28)16-6-1-2-7-24-16/h1-7,10,12,17H,8-9,11H2,(H,25,26,28).
What are the key properties of 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 436.47 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).